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research article

Tensor approximation of the self-diffusion matrix of tagged particle processes

Dabaghi, Jad
•
Ehrlacher, Virginie
•
Strossner, Christoph  
March 1, 2023
Journal Of Computational Physics

The objective of this paper is to investigate a new numerical method for the approximation of the self-diffusion matrix of a tagged particle process defined on a grid. While standard numerical methods make use of long-time averages of empirical means of deviations of some stochastic processes, and are thus subject to statistical noise, we propose here a tensor method in order to compute an approximation of the solution of a high-dimensional quadratic optimization problem, which enables to obtain a numerical approximation of the self-diffusion matrix. The tensor method we use here relies on an iterative scheme which builds low-rank approximations of the quantity of interest and on a carefully tuned variance reduction method so as to evaluate the various terms arising in the functional to minimize. In particular, we numerically observe here that it is much less subject to statistical noise than classical approaches.(c) 2023 The Author(s). Published by Elsevier Inc. This is an open access article under the CC BY license (http://creativecommons .org /licenses /by /4 .0/).

  • Details
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Type
research article
DOI
10.1016/j.jcp.2023.112017
Web of Science ID

WOS:000952582100001

Author(s)
Dabaghi, Jad
Ehrlacher, Virginie
Strossner, Christoph  
Date Issued

2023-03-01

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE

Published in
Journal Of Computational Physics
Volume

480

Article Number

112017

Subjects

Computer Science, Interdisciplinary Applications

•

Physics, Mathematical

•

Computer Science

•

Physics

•

self-diffusion

•

low-rank approximations

•

alternating least squares

•

tagged particle process

•

monte carlo methods

•

high-dimensional optimization

•

finite-dimensional approximation

•

alternating least-squares

•

limit-theorem

•

exclusion

•

optimization

•

decompositions

•

coefficient

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
ANCHP  
Available on Infoscience
April 10, 2023
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/196796
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